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| Author | : Horst Köppel |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 912 |
| Release | : 2009-12-08 |
| Genre | : Science |
| ISBN | : 3642034322 |
The Jahn-Teller effect continues to be a paradigm for structural instabilities and molecular dynamical processes. This volume provides a survey of the current Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics.
| Author | : Mandeep Dalal |
| Publisher | : Dalal Institute |
| Total Pages | : 482 |
| Release | : 2017-01-01 |
| Genre | : Science |
| ISBN | : 8193872002 |
An advanced-level textbook of inorganic chemistry for the graduate (B.Sc) and postgraduate (M.Sc) students of Indian and foreign universities. This book is a part of four volume series, entitled "A Textbook of Inorganic Chemistry – Volume I, II, III, IV". CONTENTS: Chapter 1. Stereochemistry and Bonding in Main Group Compounds: VSEPR theory; dπ -pπ bonds; Bent rule and energetic of hybridization. Chapter 2. Metal-Ligand Equilibria in Solution: Stepwise and overall formation constants and their interactions; Trends in stepwise constants; Factors affecting stability of metal complexes with reference to the nature of metal ion and ligand; Chelate effect and its thermodynamic origin; Determination of binary formation constants by pH-metry and spectrophotometry. Chapter 3. Reaction Mechanism of Transition Metal Complexes – I: Inert and labile complexes; Mechanisms for ligand replacement reactions; Formation of complexes from aquo ions; Ligand displacement reactions in octahedral complexes- acid hydrolysis, base hydrolysis; Racemization of tris chelate complexes; Electrophilic attack on ligands. Chapter 4. Reaction Mechanism of Transition Metal Complexes – II: Mechanism of ligand displacement reactions in square planar complexes; The trans effect; Theories of trans effect; Mechanism of electron transfer reactions – types; outer sphere electron transfer mechanism and inner sphere electron transfer mechanism; Electron exchange. Chapter 5. Isopoly and Heteropoly Acids and Salts: Isopoly and Heteropoly acids and salts of Mo and W: structures of isopoly and heteropoly anions. Chapter 6. Crystal Structures: Structures of some binary and ternary compounds such as fluorite, antifluorite, rutile, antirutile, crystobalite, layer lattices- CdI2, BiI3; ReO3, Mn2O3, corundum, pervoskite, Ilmenite and Calcite. Chapter 7. Metal-Ligand Bonding: Limitation of crystal field theory; Molecular orbital theory: octahedral, tetrahedral or square planar complexes; π-bonding and molecular orbital theory. Chapter 8. Electronic Spectra of Transition Metal Complexes: Spectroscopic ground states, Correlation and spin-orbit coupling in free ions for Ist series of transition metals; Orgel and Tanabe-Sugano diagrams for transition metal complexes (d1 – d9 states); Calculation of Dq, B and β parameters; Effect of distortion on the d-orbital energy levels; Structural evidence from electronic spectrum; John-Tellar effect; Spectrochemical and nephalauxetic series; Charge transfer spectra; Electronic spectra of molecular addition compounds. Chapter 9. Magantic Properties of Transition Metal Complexes: Elementary theory of magneto - chemistry; Guoy’s method for determination of magnetic susceptibility; Calculation of magnetic moments; Magnetic properties of free ions; Orbital contribution, effect of ligand-field; Application of magneto-chemistry in structure determination; Magnetic exchange coupling and spin state cross over. Chapter 10. Metal Clusters: Structure and bonding in higher boranes; Wade’s rules; Carboranes; Metal carbonyl clusters - low nuclearity carbonyl clusters; Total electron count (TEC). Chapter 11. Metal-π Complexes: Metal carbonyls: structure and bonding; Vibrational spectra of metal carbonyls for bonding and structure elucidation; Important reactions of metal carbonyls; Preparation, bonding, structure and important reactions of transition metal nitrosyl, dinitrogen and dioxygen complexes; Tertiary phosphine as ligand.
| Author | : E A Moore |
| Publisher | : Royal Society of Chemistry |
| Total Pages | : 116 |
| Release | : 2019-05-02 |
| Genre | : Science |
| ISBN | : 1788018281 |
To appreciate the chemistry and physical properties of complexes of the transition series, an understanding of metal-ligand interactions applied to complexes of the d-block is needed. Metal Ligand Bonding aims to provide this through an accessible, detailed, non-mathematical approach. Initial chapters detail the crystal-field model, using it to describe the use of magnetic measurements to distinguish complexes with different electronic configurations and geometries. Subsequent chapters look at the molecular orbital theory of transition metal complexes using a pictorial approach. Bonding in octahedral complexes is explored and electronic spectra and magnetic properties are given extensive coverage. The material addressed in this book forms the foundation of undergraduate lecture courses on d-block chemistry and facilitates learning through various key features, including: full colour diagrams; in-text questions with answers; revision exercises and clearly defined learning outcomes to encourage a reflective approach to study; an associated website; and experimental data and observations from everyday life. A basic knowledge of atomic and molecular orbitals as applied to main group elements is assumed.
| Author | : Philip Bunker |
| Publisher | : Elsevier |
| Total Pages | : 441 |
| Release | : 2012-12-02 |
| Genre | : Science |
| ISBN | : 032315025X |
Molecular Symmetry and Spectroscopy deals with the use of group theory in quantum mechanics in relation to problems in molecular spectroscopy. It discusses the use of the molecular symmetry group, whose elements consist of permutations of identical nuclei with or without inversion. After reviewing the permutation groups, inversion operation, point groups, and representation of groups, the book describes the use of representations for labeling molecular energy. The text explains an approximate time independent Schrödinger equation for a molecule, as well as the effect of a nuclear permutation or the inversion of E* on such equation. The book also examines the expression for the complete molecular Hamiltonian and the several groups of operations commuting with the Hamiltonian. The energy levels of the Hamiltonian can then be symmetrically labeled by the investigator using the irreducible representations of these groups. The text explains the two techniques to change coordinates in a Schrödinger equation, namely, (1) by using a diatomic molecule in the rovibronic Schrödinger equation, and (2) by a rigid nonlinear polyatomic molecule. The book also explains that using true symmetry, basis symmetry, near symmetry, and near quantum numbers, the investigator can label molecular energy levels. The text can benefit students of molecular spectroscopy, academicians, and investigators of molecular chemistry or quantum mechanics.
| Author | : Hendrik Bluhm |
| Publisher | : Walter de Gruyter GmbH & Co KG |
| Total Pages | : 406 |
| Release | : 2019-04-01 |
| Genre | : Science |
| ISBN | : 3110438321 |
As a continuation of classical condensed matter physics texts, this graduate textbook introduces advanced topics of correlated electron systems, mesoscopic transport,quantum computing, optical excitations and topological insulators. The book is focusing on an intuitive understanding of the basic concepts of these rather complex subjects.
| Author | : |
| Publisher | : John Wiley & Sons |
| Total Pages | : 386 |
| Release | : 2021-05-11 |
| Genre | : Science |
| ISBN | : 1789450136 |
This book covers both the fundamental and applied aspects of advanced Na-ion batteries (NIB) which have proven to be a potential challenger to Li-ion batteries. Both the chemistry and design of positive and negative electrode materials are examined. In NIB, the electrolyte is also a crucial part of the batteries and the recent research, showing a possible alternative to classical electrolytes – with the development of ionic liquid-based electrolytes – is also explored. Cycling performance in NIB is also strongly associated with the quality of the electrode-electrolyte interface, where electrolyte degradation takes place; thus, Na-ion Batteries details the recent achievements in furthering knowledge of this interface. Finally, as the ultimate goal is commercialization of this new electrical storage technology, the last chapters are dedicated to the industrial point of view, given by two startup companies, who developed two different NIB chemistries for complementary applications and markets.
| Author | : Arnout Ceulemans |
| Publisher | : Springer Nature |
| Total Pages | : 429 |
| Release | : 2022-09-29 |
| Genre | : Science |
| ISBN | : 3031095286 |
This book provides a comprehensive discussion of the Jahn-Teller Effect (JTE), focusing on the boson-fermion interaction. While current research is concerned with measuring and calculating ever more sophisticated and complex manifestations of the JT effect, the present volume takes away the epicycles of the theory and focuses on the symmetry dilemma at its core. When fermions and bosons meet, they get entangled and form a new dynamic reality. According to the rules of Molecular Symmetry, this reality is limited to a small set of patterns, with degeneracy cardinalities: 2, 3, 4, 5, and 6. The novelty of the book is that it adopts a unique mathematical technique, known as the Bargmann-Fock representation, and treats all degeneracies in detail. So far, this method was only applied to the simplest doublet case therefore its extension to the entire range of cases offers a new unified perspective. This volume will help the reader acquire a clear understanding of the JT effect, discover its universal mechanism and it will be a great tool for researchers and graduates working on this topic.
| Author | : Olle Gunnarsson |
| Publisher | : World Scientific |
| Total Pages | : 301 |
| Release | : 2004 |
| Genre | : Science |
| ISBN | : 981238667X |
Alkali-doped fullerides have attracted strong interest since their production became possible about fifteen years ago. This book presents recent work which may solve intriguing problems arising from a variety of remarkable properties. For example, these solids are superconductors with high transition temperatures, although the similarity between the electronic and phonon energy scales should suppress superconductivity. Moreover, the Ioffe-Regel condition for electrical conductivity is strongly violated. The book shows why superconductivity is nevertheless possible, owing to a local pairing mechanism. The Ioffe-Regel condition is derived quantum-mechanically, and it is explained why the underlying assumptions are violated for fullerides and high-c cuprates, for example. The book treats electronic and transport properties, reviewing theoretical and experimental results. It focuses on superconductivity, electrical conductivity and metal-insulator transitions, emphasizing the electron-electron and electron-phonon interactions as well as the Jahn-Teller effect.
| Author | : Satoru Sugano |
| Publisher | : Elsevier |
| Total Pages | : 348 |
| Release | : 2012-12-02 |
| Genre | : Science |
| ISBN | : 0323154794 |
Multiplets of Transition-Metal Ions in Crystals provides information pertinent to ligand field theory. This book discusses the fundamentals of quantum mechanics and the theory of atomic spectra. Comprised of 10 chapters, this book starts with an overview of the qualitative nature of the splitting of the energy level as well as the angular behavior of the wavefunctions. This text then examines the problem of obtaining the energy eigenvalues and eigenstates of the two-electron systems, in which two electrons are accommodated in the t2g and eg shells in a variety of ways. Other chapters discuss the ligand-field potential, which is invariant to any symmetry operation in the group to which symmetry of the system belongs. This book discusses as well the approximate method of expressing molecular orbitals (MO) by a suitable linear combination of atomic orbitals (AO). The final chapter discusses the MO in molecules and the self-consistent field theory of Hartree–Fock. This book is a valuable resource for research physicists, chemists, electronic engineers, and graduate students.
| Author | : Daniel Khomskii |
| Publisher | : Cambridge University Press |
| Total Pages | : 501 |
| Release | : 2014-10-23 |
| Genre | : Science |
| ISBN | : 1107020174 |
This book describes all aspects of the physics of transition metal compounds, providing a comprehensive overview of this diverse class of solids. Set within a modern conceptual framework, this is an invaluable, up-to-date resource for graduate students, researchers and industrial practitioners in solid-state physics and chemistry, materials science, and inorganic chemistry.
